UCSF

ZINC65531887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 Yes

Popular Name: (3S)-3-[(4S,5R)-5-[(4R)-2-ethyl-5-methyl-4H-imidazol-4-yl]-4-phenyl-imidazolidin-1-yl]azepan-2-one (3S)-3-[(4S,5R)-5-[(4R)-2-ethyl-…

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.04 -42.09 4 6 1 74 368.505 4 ↓
Hi High (pH 8-9.5) 2.25 3.72 -11.29 3 6 0 73 367.497 4 ↓
Mid Mid (pH 6-8) 2.25 6.45 -85.84 5 6 2 75 369.513 4 ↓
Mid Mid (pH 6-8) 2.25 4.13 -22.77 4 6 1 74 368.505 4 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.